%chk=000042280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042280

0 1
 O    2.869500      0.5481000       1.996600    
 O    3.643700      -1.184900      0.7344000    
 C   0.7295000      0.7000000      0.1310000    
 C  -0.1399000     -0.6274000      5.7700001E-02
 C    2.237300      0.5175000     -0.2765000    
 C   0.1461000      -1.385800      -1.267000    
 C   4.8799999E-02   1.815600     -0.6896000    
 C    2.396200     -0.2956000      -1.571400    
 C    1.625300      -1.607100      -1.552600    
 C   -1.664800     -0.3533000      0.1073000    
 C   0.2156000      -1.530100       1.271100    
 C   -1.312500       2.153600     -0.1035000    
 C   -2.193100      0.9477000      2.4700001E-02
 C    2.987200       1.856300     -0.4479000    
 C    2.999000     -0.1525000      0.8435000    
 C   -2.581300      -1.424500      0.1970000    
 C   -3.583800       1.153500      9.3000002E-02
 C   -3.960200      -1.211500      0.2482000    
 C   -4.462400      8.0499999E-02  0.2040000    
 H   0.6919000       1.048800       1.173500    
 H  -0.2908000     -0.8353000      -2.111500    
 H  -0.3486000      -2.365800      -1.266300    
 H  -5.0500002E-02   1.516700      -1.739900    
 H   0.6332000       2.740300     -0.6753000    
 H    3.454200     -0.5103000      -1.771100    
 H    2.043600      0.3003000      -2.423700    
 H    2.050700      -2.309600     -0.8297000    
 H    1.727500      -2.090300      -2.532200    
 H    1.258500      -1.841700       1.286700    
 H   5.5999998E-03  -1.013700       2.215400    
 H  -0.3559000      -2.463900       1.282600    
 H   -1.790400       2.900300     -0.7494000    
 H   -1.192100       2.606400      0.8886000    
 H    2.796500       2.542800      0.3853000    
 H    4.072900       1.703800     -0.4997000    
 H    2.699300       2.365700      -1.374300    
 H   -2.233700      -2.454200      0.2211000    
 H   -3.988800       2.162200      5.1300000E-02
 H   -4.637400      -2.057300      0.3222000    
 H   -5.533200      0.2537000      0.2482000    
 H    3.354700      0.1265000       2.737500    


%chk=000042280-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042280

0 1
O 2.777239 0.420892 2.116767
O 3.800301 -1.149751 0.766420
C 0.706963 0.718610 0.095764
C -0.136803 -0.619207 0.047126
C 2.236451 0.510326 -0.264828
C 0.129966 -1.378546 -1.298990
C 0.039580 1.816077 -0.770756
C 2.412270 -0.297145 -1.581146
C 1.625312 -1.622887 -1.586599
C -1.662778 -0.328970 0.119950
C 0.247624 -1.527534 1.255623
C -1.321108 2.196661 -0.160297
C -2.215174 0.980816 0.027690
C 2.987897 1.877917 -0.400060
C 2.994316 -0.195805 0.870733
C -2.565535 -1.421737 0.244097
C -3.621152 1.160161 0.092886
C -3.961065 -1.237817 0.305279
C -4.498941 0.068080 0.237571
H 0.681547 1.088566 1.141126
H -0.310831 -0.795064 -2.132331
H -0.415115 -2.341773 -1.278044
H -0.099445 1.470975 -1.813492
H 0.672054 2.719545 -0.807132
H 3.487905 -0.492012 -1.746839
H 2.060809 0.339712 -2.417806
H 2.064564 -2.317342 -0.847290
H 1.733421 -2.109755 -2.575170
H 1.296083 -1.864500 1.208423
H 0.100293 -0.987940 2.208104
H -0.372854 -2.439298 1.283795
H -1.836884 2.942242 -0.795571
H -1.147018 2.689758 0.819546
H 2.772980 2.543320 0.453595
H 4.080234 1.711348 -0.442516
H 2.697670 2.384165 -1.336131
H -2.175315 -2.444704 0.292096
H -4.025930 2.177879 0.019576
H -4.623405 -2.105477 0.402189
H -5.581916 0.227969 0.285226
H 3.333189 -0.042255 2.800717


